2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(2-chlorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(2-chlorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(2-chlorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4565 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[(2-chlorophenyl)methyl]-4-methylpyrimidine-5-carboxamide |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.755 |
| logD: | 3.7544 |
| logSw: | -4.0203 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.806 |
| InChI Key: | YCFOBROUFDTYIP-UHFFFAOYSA-N |